3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole

C59H37N3S2 — CID 126659379

IUPAC3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole
SMILESC1=C(c2cccc3c2sc2ccccc23)CNc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1
InChIInChI=1S/C59H37N3S2/c1-5-25-52-44(17-1)50-34-41(62-53-26-6-2-18-45(53)51-33-39(35-60-59(51)62)43-22-12-24-49-47-20-4-8-28-56(47)64-58(43)49)29-30-54(50)61(52)40-16-10-14-37(32-40)36-13-9-15-38(31-36)42-21-11-23-48-46-19-3-7-27-55(46)63-57(42)48/h1-34,60H,35H2
InChIKeyGFTALDBPXLXJMO-UHFFFAOYSA-N
MW852.10 g/mol
LogP16.76
Rot. Bonds5

About 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole

3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole (PubChem CID 126659379) has the molecular formula C59H37N3S2 and a molecular weight of 852.10 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole
PubChem CID126659379
Molecular FormulaC59H37N3S2
Molecular Weight852.10 g/mol
Exact Mass851.24
IUPAC Name3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole
SMILESC1=C(c2cccc3c2sc2ccccc23)CNc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1
InChIInChI=1S/C59H37N3S2/c1-5-25-52-44(17-1)50-34-41(62-53-26-6-2-18-45(53)51-33-39(35-60-59(51)62)43-22-12-24-49-47-20-4-8-28-56(47)64-58(43)49)29-30-54(50)61(52)40-16-10-14-37(32-40)36-13-9-15-38(31-36)42-21-11-23-48-46-19-3-7-27-55(46)63-57(42)48/h1-34,60H,35H2
InChIKeyGFTALDBPXLXJMO-UHFFFAOYSA-N
XLogP16.76
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.10
LogP ≤ 516.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole (CID 126659379) is 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole is C1=C(c2cccc3c2sc2ccccc23)CNc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole?
The InChIKey is GFTALDBPXLXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3S2/c1-5-25-52-44(17-1)50-34-41(62-53-26-6-2-18-45(53)51-33-39(35-60-59(51)62)43-22-12-24-49-47-20-4-8-28-56(47)64-58(43)49)29-30-54(50)61(52)40-16-10-14-37(32-40)36-13-9-15-38(31-36)42-21-11-23-48-46-19-3-7-27-55(46)63-57(42)48/h1-34,60H,35H2.
What are the key properties of 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole?
3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole has a molecular weight of 852.10 g/mol, XLogP of 16.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]-1,2-dihydropyrido[2,3-b]indole is sourced from PubChem (CID 126659379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).